4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole

C12H20N2O — CID 84734264

IUPAC4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(CC2CCCCN2)co1
InChIInChI=1S/C12H20N2O/c1-9(2)12-14-11(8-15-12)7-10-5-3-4-6-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyRNUWTCQSLHMCTC-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.48
Rot. Bonds3

About 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole

4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 84734264) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
PubChem CID84734264
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(CC2CCCCN2)co1
InChIInChI=1S/C12H20N2O/c1-9(2)12-14-11(8-15-12)7-10-5-3-4-6-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyRNUWTCQSLHMCTC-UHFFFAOYSA-N
XLogP2.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
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2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
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3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
CID 116888787
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
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4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole (CID 84734264) is 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(CC2CCCCN2)co1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is RNUWTCQSLHMCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)12-14-11(8-15-12)7-10-5-3-4-6-13-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole?
4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 84734264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).